2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethyl 3-azanylpropanoate chloride

Systemtic Name: 2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethyl 3-azanylpropanoate chloride Openeye Name: 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl 3-aminopropanoate chloride CAS Name: 3-aminopropanoic acid 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl ester chloride IUPAC Name: 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl 3-aminopropanoate chloride Traditional Name: 3-aminopropionic acid 2-[(2-amino-6-keto-3H-purin-9-yl)methoxy]ethyl ester chloride Formula: C11H16ClN6O4- MolecularWeight: 331.73554

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1COCCOC(=O)CCN)NC(=NC2=O)N.[Cl-]

Isomeric SMILES

C1=NC2=C(N1COCCOC(=O)CCN)NC(=NC2=O)N.[Cl-]

InChI

InChI=1S/C11H16N6O4.ClH/c12-2-1-7(18)21-4-3-20-6-17-5-14-8-9(17)15-11(13)16-10(8)19;/h5H,1-4,6,12H2,(H3,13,15,16,19);1H/p-1